Geometry & MOs

Info

ID:	77914
PubChem CID:	49674502
Reduced:	BrO2N5H16C25 (1)
Stoich.:	AB2C5D16E25 (1)
Weight, g/mol:	350.088912
ΔH_f, kcal/mol:	118.22
Dipole, Da:	4.2
IP(EA), eV:	-8.75(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-fluorophenyl)methyl]-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3=NN4C=CN(C(=O)C4=C3)CC5=NC(=NO5)C6=CC=CC=C6Br

DOS

IR

Vibrations